REMARK  Name = BDB017514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.598   0.875  -1.774  0.00  0.00    -0.273 N 
ATOM      2  C   LIG    1       -0.316   0.436  -2.139  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -0.212   0.557  -3.505  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1        0.966   0.184  -4.064  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        1.978  -0.283  -3.298  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.786  -0.367  -1.956  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.405   1.065  -4.015  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -1.675   1.336  -5.396  0.00  0.00    +0.154 C 
ATOM      9  N   LIG    1        0.647  -0.016  -1.337  0.00  0.00    -0.195 NA
ATOM     10  C   LIG    1       -2.291   1.275  -2.937  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -3.427   1.713  -3.010  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -2.674   0.903   2.373  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1       -1.381   1.598   1.947  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1       -1.366   1.950   0.455  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -2.116   0.928  -0.419  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1       -2.182  -0.454   0.241  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1       -2.877  -0.414   1.608  0.00  0.00    +0.033 C 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.877   1.611   2.942  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1       -3.751   1.808   2.097  0.00  0.00    -0.380 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  N   LIG    1        2.881  -0.860  -1.248  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        3.622  -1.076  -1.899  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.084  -1.098   0.093  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.384  -1.696   0.516  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        5.424  -2.017  -0.526  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1        4.650  -1.959   1.816  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        3.692  -1.669   2.819  0.00  0.00    +0.156 A 
ATOM     27  N   LIG    1        2.487  -1.110   2.411  0.00  0.00    -0.219 N 
ATOM     28  N   LIG    1        1.706  -0.908   3.504  0.00  0.00    -0.154 NA
ATOM     29  C   LIG    1        2.484  -1.351   4.492  0.00  0.00    +0.246 A 
ATOM     30  N   LIG    1        3.705  -1.827   4.123  0.00  0.00    -0.215 NA
ATOM     31  C   LIG    1        2.202  -0.834   1.081  0.00  0.00    +0.138 A 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4